SCHEMBL6535840

SCHEMBL6535840

CCN(CC)CC#CC(O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
TP53 P04637 2/20 0.36
CYP3A4 P08684 3/20 0.35
ADRA2A P08913 2/20 0.35
SLC6A2 P23975 2/20 0.35
ADRA1A P35348 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28490680 0.74 SHBG (0.36) TP53CYP1A2LMNATSHRSHBG
SCHEMBL5188231 0.72 TP53 (0.44) TP53LMNASHBGPMP22
SCHEMBL5186842 0.72 TP53 (0.44) TP53LMNASHBGPMP22
SCHEMBL5186833 0.72 TP53 (0.44) TP53LMNASHBGPMP22
SCHEMBL5188226 0.72 TP53 (0.44) TP53LMNASHBGPMP22
SCHEMBL31682153 0.71 SIGMAR1 (0.37) TSHRSIGMAR1
SCHEMBL31682135 0.69 HMGCR (0.37) TSHRSIGMAR1RECQL
SCHEMBL1647893 0.69 CHRM2 (0.55) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL7111648 0.68 SHBG (0.38) TP53LMNASHBGPMP22
SCHEMBL6355744 0.68 TP53 (0.32) TP53LMNAPMP22

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333825-A4 METHOD FOR ENHANCED DELIVERY OF OXYBUTYNIN AND COMPOSITIONS THEREOF THERAMAX INC (US) 2004-02-11 EP disclosed
EP-1333825-A1 METHOD FOR ENHANCED DELIVERY OF OXYBUTYNIN AND COMPOSITIONS THEREOF Theramax, Inc. (US) 2003-08-13 EP disclosed
WO-2002017907-A1 METHOD FOR ENHANCED DELIVERY OF OXYBUTYNIN AND COMPOSITIONS THEREOF THERAMAX, INC. (US) 2002-03-07 WO disclosed